⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21723092 | 0.81 | — | — | |
| SCHEMBL15627015 | 0.78 | — | — | |
| SCHEMBL521836 | 0.69 | — | — | |
| SCHEMBL8597856 | 0.63 | — | — | |
| SCHEMBL191208 | 0.63 | — | — | |
| SCHEMBL28415942 | 0.60 | — | — | |
| SCHEMBL27860303 | 0.60 | — | — | |
| SCHEMBL28002305 | 0.60 | — | — | |
| Water SCHEMBL28212847 | 0.60 | — | — | |
| SCHEMBL6764853 | 0.60 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997929-B | Silicone emulsion compositions and mixtures | 信越化学工业株式会社 | 2021-11-23 | — | — | CN | disclosed |